Sodium ion → 1-benzenesulfonyl-5-fluoro-2-[1-[4-(2-methoxy-ethanesulfonyl)-phenyl]-2-(tetrahydro-pyran-4-yl)-vinyl]-1H-pyrrolo[2,3-b]pyridine

HRID 2162091Notes

Reaction equation

HRID 2162091 reaction equation
[CH3:39][O:40][CH2:41][CH2:42][S:43](=[O:44])(=[O:45])[c:46]1[cH:47][cH:48][c:49]([B:52]([OH:53])[OH:54])[cH:50][cH:51]1.[Na+:55].[Na+:56].[O-:57][C:58](=[O:59])[O-:60].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[Pd:67]([Cl:68])[Cl:69].[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20](=[CH:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[O:28][S:29]([c:30]3[cH:31][cH:32][c:33]([CH3:34])[cH:35][cH:36]3)(=[O:37])=[O:38])[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:70]1([P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[cH:84][cH:85][cH:86][cH:87][cH:88]1.[c:89]1([P:90]([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)[cH:103][cH:104][cH:105][cH:106][cH:107]1>>[c:1]1([S:7](=[O:8])(=[O:9])[n:10]2[c:11]([C:20](=[CH:21][CH:22]3[CH2:23][CH2:24][O:25][CH2:26][CH2:27]3)[c:49]3[cH:48][cH:47][c:46]([S:43]([CH2:42][CH2:41][O:40][CH3:39])(=[O:44])=[O:45])[cH:51][cH:50]3)[cH:12][c:13]3[c:14]2[n:15][cH:16][c:17]([F:19])[cH:18]3)[cH:2][cH:3][cH:4][cH:5][cH:6]1

Participants

8

Reactant 7

HCID 923Sodium ion2×HCID 11776Triphenylphosphine2×HCID 19660Carbonate IonHCID 24290Palladium ChlorideHCID 312751,4-DioxaneHCID 672291694-(2-Methoxy-ethanesulfonyl)-phenylboronic acidHCID 86654513toluene-4-sulfonic acid 1-(1-benzenesulfonyl-5-fluoro-1H-pyrrolo[2,3-b]pyridin-2-yl)-2-(tetrahydro-pyran-4-yl)-vinyl ester

Product 1

HCID 672294011-benzenesulfonyl-5-fluoro-2-[1-[4-(2-methoxy-ethanesulfonyl)-phenyl]-2-(tetrahydro-pyran-4-yl)-vinyl]-1H-pyrrolo[2,3-b]pyridine

Sources & evidence

ORD record
ord-dff42aa5a92d42e2800c39a96e693842
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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